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5-hydroxy-6-methylpyridine-3,4-dicarboxylate

PropertiesImage
MNX_IDMNXM3187 Image of MNXM3187
referencechebi:77620
formulaC8H5NO5
global charge-2
mol weight195.13
InChIKeyLVJJEIJOKPHQOU-UHFFFAOYSA-L
InChIInChI=1S/C8H7NO5/c1-3-6(10)5(8(13)14)4(2-9-3)7(11)12/h2,10H,1H3,(H,11,12)(H,13,14)/p-2
SMILESCC1=C([O-])C(C(=O)[O-])=C(C(=O)[O-])C=[NH+]1
MNX internals
InChI (mnx)InChI=1/C8H7NO5/c1-3-6(10)5(8(13)14)4(2-9-3)7(11)12/h2,10H,1H3,(H,11,12)(H,13,14) Image of MNXM3187
SMILES (mnx)[CH3:1][C:3]1=[N:9][CH:2]=[C:4]([C:7](=[O:11])[OH:12])[C:5]([C:8]([OH:13])=[O:14])=[C:6]1[OH:10]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77620
chebi:77620
LVJJEIJOKPHQOU-UHFFFAOYSA-L 		5-hydroxy-6-methylpyridine-3,4-dicarboxylate
5-oxido-6-methylpyridinium-3,4-dicarboxylate
6-methyl-5-oxidopyridinium-3,4-dicarboxylate

envipath:...e16bf6f55ba6
envipathM:...e16bf6f55ba6
sabiork.compound:7430
sabiorkM:7430
kegg.compound:C04604
keggC:C04604
LVJJEIJOKPHQOU-UHFFFAOYSA-L
LVJJEIJOKPHQOU-UHFFFAOYSA-N 		3-Hydroxy-2-methylpyridine-4,5-dicarboxylate
hmdb:HMDB0006955
LVJJEIJOKPHQOU-UHFFFAOYSA-N 		3-Hydroxy-2-methylpyridine-4,5-dicarboxylate
3-Hydroxy-2-methylpyridine-4,5-dicarboxylic acid
5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid

seed.compound:cpd02805
seedM:cpd02805
LVJJEIJOKPHQOU-UHFFFAOYSA-L 		3-Hydroxy-2-methylpyridine-4,5-dicarboxylate
3-hydroxy-2-methylpyridine-4,5-dicarboxylate

vmhM:3h2m45dc
vmhmetabolite:3h2m45dc
LVJJEIJOKPHQOU-UHFFFAOYSA-N 		3-Hydroxy-2-methylpyridine-4,5-dicarboxylate
5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid

metacyc.compound:CPD-234
metacycM:CPD-234
LVJJEIJOKPHQOU-UHFFFAOYSA-L 		3-hydroxy-2-methylpyridine-4,5-dicarboxylate

CHEBI:11807
chebi:11807
LVJJEIJOKPHQOU-UHFFFAOYSA-L 		5-hydroxy-6-methylpyridine-3,4-dicarboxylate

CHEBI:17978
chebi:17978
LVJJEIJOKPHQOU-UHFFFAOYSA-N 		5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid
3-Hydroxy-2-methylpyridine-4,5-dicarboxylate

hmdb:HMDB06955
chebi:1518
chebi:20037
keggC:M_C04604
seedM:M_cpd02805
vmhM:M_3h2m45dc 		secondary/obsolete/fantasy identifier